RefChem:564731
TL;DR: RefChem:564731 (CAS 23807-34-3) is a chemical compound with molecular formula C22H27N3O13S3 and molecular weight 637.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methoxy-4-[[2-[[2-methoxy-5-methyl-4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-3-oxobutanoyl]amino]-2-methylbenzenesulfonic acid
Also Known As: Benzenesulfonic acid, 5-methoxy-4-((2-((2-methoxy-5-methyl-4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)azo)-1,3-dioxobutyl)amino)-2-methyl-, 4-(2-((4-((2-Hydroxyethyl)sulfonyl)-6-methoxy-m-tolyl)azo)acetoacetamido)-5-methoxy-o-toluenesulfonic acid, hydrogen sulfate (ester), 5-methoxy-4-({2-[(e)-(2-methoxy-5-methyl-4-{[2-(sulfooxy)ethyl]sulfonyl}phenyl)diazenyl]-3-oxobutanoyl}amino)-2-methylbenzenesulfonic acid, 7-acetyl-4,4a,4b,5,6,7,8,8a,9,10-decahydrophenanthren-2(3h)-one, Benzenesulfonic acid, 5-methoxy-4-((2-(2-(2-methoxy-5-methyl-4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)diazenyl)-1,3-dioxobutyl)amino)-2-methyl-
| Molecular Formula | C22H27N3O13S3 |
|---|---|
| Molecular Weight | 637.07 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 267.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 13 |
| Exact Mass | 637.0706 |
| Heavy Atoms | 41 |
| Complexity | 1270.0 |
Chemical Identifiers
| CAS Number | 23807-34-3 |
|---|---|
| SMILES | CC1=CC(=C(C=C1S(=O)(=O)O)OC)NC(=O)C(C(=O)C)N=NC2=C(C=C(C(=C2)C)S(=O)(=O)CCOS(=O)(=O)O)OC |
| InChIKey | OJMKGXPNUQLRAB-UHFFFAOYSA-N |
Product Overview
RefChem:564731 (CAS 23807-34-3), with molecular formula C22H27N3O13S3 and molecular weight 637.07 g/mol. IUPAC: 5-methoxy-4-[[2-[[2-methoxy-5-methyl-4-(2-sulfooxyethylsulfonyl)phenyl]diazenyl]-3-oxobutanoyl]amino]-2-methylbenzenesulfonic acid.
Chemical Property Profile of RefChem:564731
Property Insights of RefChem:564731
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:564731. The TPSA of 267.0 Ų indicates high polarity, suggesting RefChem:564731 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:564731 has 3 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:564731?
The CAS number of RefChem:564731 is 23807-34-3.
What is the molecular formula of RefChem:564731?
The molecular formula of RefChem:564731 is C22H27N3O13S3.
What is the molecular weight of RefChem:564731?
The molecular weight of RefChem:564731 is 637.07 g/mol.
Where can I buy RefChem:564731?
You can request a quote for RefChem:564731 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:564731?
Yes, KEHONG BIO provides custom synthesis services for RefChem:564731 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.